VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments-Reference-Cited by-同舟云学术

VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments

Published:2019-12-11 Issue:5 Volume:10 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Rinkevicius Zilvinas¹²,Li Xin¹,Vahtras Olav¹,Ahmadzadeh Karan¹,Brand Manuel¹^ORCID,Ringholm Magnus¹,List Nanna Holmgaard³⁴,Scheurer Maximilian⁵,Scott Mikael⁵,Dreuw Andreas⁵,Norman Patrick¹^ORCID

Affiliation:

1. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health KTH Royal Institute of Technology Stockholm Sweden

2. Department of Physics Kaunas University of Technology Kaunas Lithuania

3. Department of Chemistry and the PULSE Institute Stanford University Stanford California

4. SLAC National Accelerator Laboratory Menlo Park California

5. Interdisciplinary Center for Scientific Computing Ruprecht‐Karls University Heidelberg Germany

Funder

H2020 Marie Skłodowska-Curie Actions

Norges Forskningsråd

Vetenskapsrådet

Villum Fonden

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1457

Reference36 articles.

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5. Linear-Scaling Methods in Quantum Chemistry

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